SCHEMBL1127410

SCHEMBL1127410

Cc1c(-c2ccco2)c(C(=O)O)n(C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.44
TDP1 Q9NUW8 7/20 0.44
POLB P06746 7/20 0.44
CTDSP1 Q9GZU7 3/20 0.44
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RECQL P46063 4/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
PKM P14618 2/20 0.37
APEX1 P27695 1/20 0.37
RCE1 Q9Y256 1/20 0.37
HSD17B10 Q99714 4/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1127114 0.73 L3MBTL1 (0.44) L3MBTL1TDP1POLBCTDSP1KEAP1
SCHEMBL1030274 0.72 POLB (0.46) L3MBTL1TDP1POLBCTDSP1KEAP1
SCHEMBL15162320 0.69 HSP90AA1 (0.47) L3MBTL1TDP1POLBCTDSP1KDM4E
SCHEMBL25529106 0.68 L3MBTL1 (0.44) L3MBTL1TDP1POLBCTDSP1KEAP1
SCHEMBL2637756 0.66 HSD17B10 (0.48) L3MBTL1TDP1POLBCTDSP1KDM4E
SCHEMBL18920540 0.66 MYC (0.53) L3MBTL1TDP1POLBCTDSP1KEAP1
SCHEMBL5052040 0.64 L3MBTL1 (0.47) L3MBTL1TDP1POLBCTDSP1KEAP1
SCHEMBL18920538 0.63 POLB (0.56) L3MBTL1TDP1POLBCTDSP1KEAP1
SCHEMBL4395818 0.61 ALDH1A1 (0.50) L3MBTL1TDP1POLBCTDSP1KEAP1
SCHEMBL31249455 0.60 ALDH1A1 (0.55) TDP1KDM4EMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed